SCHEMBL8979613

SCHEMBL8979613

CCN1C(=O)CCc2cc(Sc3cccc(C4(C)CC(O)CCO4)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX5 P09917 4/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8979556 0.90 GAA (0.31) ALOX5POLB
SCHEMBL8979492 0.83 ATAD2 (0.39) ATAD2CYP1A2CYP11B1CYP11B2MAPT
SCHEMBL8979603 0.79 ALOX5 (0.34) CYP11B1CYP11B2ALOX5
SCHEMBL8979499 0.78 ALOX5 (0.38) CYP11B1CYP11B2ALOX5
SCHEMBL2108821 0.77 ATAD2 (0.40) ATAD2CYP1A2CYP11B1CYP11B2ALOX5
SCHEMBL8979516 0.77 ALOX5 (0.46) CYP11B1CYP11B2ALOX5
SCHEMBL8979529 0.74 CYP1A2 (0.36) CYP1A2CYP11B1CYP11B2
SCHEMBL8979512 0.74 ALOX5 (0.41) CYP1A2CYP11B1CYP11B2ALOX5
SCHEMBL8979547 0.74 ALOX5 (0.33) CYP11B1CYP11B2ALOX5
SCHEMBL8979610 0.73 ATAD2 (0.43) ATAD2CYP1A2CYP11B1CYP11B2ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed